N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine

C16H32N2O2S — CID 64760268

IUPACN-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2CCCC(C)C2C)CC1
InChIInChI=1S/C16H32N2O2S/c1-4-12-21(19,20)18-10-8-15(9-11-18)17-16-7-5-6-13(2)14(16)3/h13-17H,4-12H2,1-3H3
InChIKeyWAEYCEJMAYNVCG-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.60
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine

N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine (PubChem CID 64760268) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine
PubChem CID64760268
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2CCCC(C)C2C)CC1
InChIInChI=1S/C16H32N2O2S/c1-4-12-21(19,20)18-10-8-15(9-11-18)17-16-7-5-6-13(2)14(16)3/h13-17H,4-12H2,1-3H3
InChIKeyWAEYCEJMAYNVCG-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine (CID 64760268) is N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NC2CCCC(C)C2C)CC1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine?
The InChIKey is WAEYCEJMAYNVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-4-12-21(19,20)18-10-8-15(9-11-18)17-16-7-5-6-13(2)14(16)3/h13-17H,4-12H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine?
N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine has a molecular weight of 316.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 64760268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).